Ternary cobalt spinel oxides for solar driven hydrogen production: Theory and experiment

Aron Walsh, K S Ahn, S Shet, M N Huda, T G Deutsch, H L Wang, J A Turner, S H Wei, Y F Yan, M M Al-Jassim

Research output: Contribution to journalArticlepeer-review

56 Citations (Scopus)

Abstract

Discovery of a chemically stable, light absorbing and low resistivity metal oxide with band edges aligned to the water redox potentials has been a goal of physical scientists for the past forty years. Despite an immense amount of effort, no solution has been uncovered. We present a combined theoretical and experimental exploration of a series of unconventional ternary cobalt spinel oxides, which offer chemical functionality through substitution on the octahedral spinel B site. First-principles predictions of the substitution of group 13 cations (Al, Ga, In) in Co(3)O(4) to form a series of homologous CoX(2)O(4) spinel compounds are combined with experimental synthesis and photoelectrochemical characterization. Ultimately, while tunable band gaps in the visible range can be obtained, the material performance is limited by poor carrier transport properties associated with small polaron carriers. Future design pathways for metal oxide exploration are discussed.
Original languageEnglish
Pages (from-to)774-782
Number of pages9
JournalEnergy & Environmental Science
Volume2
Issue number7
DOIs
Publication statusPublished - 2009

Keywords

  • water
  • visible-light
  • wave basis-set
  • coal2o4
  • films
  • total-energy calculations
  • intrinsic defects
  • transparent
  • electronic-structure
  • bivo4

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